Exchange energy density definitions from the optimized exchange-force, exemplified for non-relativistic Ne- and Ar-like atomic ions in the limit of large nuclear charge

DOI10.1007/S10910-010-9741-ZMaRDI QIDQ631432zbMATH OpenOpenAlexFDO

Authors A. Krishtal, C. Van Alsenoy, N. H. March, James D. Talman

Publication date 14 March 2011

Published in Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1007/s10910-010-9741-z

zbMATH Keywords

exchange potential and exchange energy densitiesinhomogeneous electron liquid

Mathematics Subject Classification ID

Molecular physics (81V55)

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(2)

• Electrostatic interpretation of the force \(-\partial V_{\text{xc}}/\partial r\) connected with the exchange-correlation potential: direct relation to single-particle kinetic energy density in Be-atom
• Accurate relativistic density functional for exchange energy of atomic nuclei

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